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北京石油化工学院2026年研究生招生接收调剂公告

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[热点] 一志愿北交大材料工程总分358求调剂 cs0106 2026-04-08 刚刚
[Gaussian] [已完结]求Gaussian03W的windows安装软件 (2/1372) NK十一 2014-02-13 2014-02-13 12:30:17 by gengle
[Gaussian] [已完结]gauss 优化片段-没显示明确错误提示,请高人解答 (5/811) 轩辕重出江湖 2013-04-03 2014-02-13 11:50:30 by yegui808095
[Gaussian] [已完结]gaussview 中得到的红外光谱,纵坐标与计算得到的强度有什么关系? (2/1220) 春华秋实2020 2014-02-11 2014-02-12 14:08:30 by sobereva
[Gaussian] [已完结]molecular dynamics (MD) simulations, 高斯中如何做! (7/1363) lixiaona158 2014-02-11 2014-02-12 13:11:39 by sobereva
[Gaussian] [已完结]计算SOMO轨道中各原子的占据百分比(Molecular Orbital Coefficients) (2/963) yoyo103108 2014-02-11 2014-02-11 12:42:52 by sobereva
[Gaussian] [已完结]高斯中自旋多重度是按照什么要求设置的 (7/4360) linbin1990 2013-12-08 2014-02-10 15:15:22 by 我不怕狗
[Gaussian] [已完结]一个有关BDE计算的问题 (4/1549) zhangdi6802 2011-05-14 2014-02-10 07:17:14 by 艳飞
[Gaussian] [已完结]【新人求教】结构优化使用分子力场方法是否合适? (2/1530) hicainiao 2014-02-08 2014-02-08 21:05:12 by gengle
[量化新手 ] [已完结]同为π-π跃迁,苯环B带为什么比K带弱? (2/2159) yzuzdl47 2014-02-07 2014-02-08 00:29:35 by virtualzx
[Gaussian] [已完结]NBO计算配位键的连接 (3/973) konglingbing 2014-02-06 2014-02-07 11:26:56 by sobereva
[Gaussian] [已完结]gaussian 无法计算大分子 (8/2164) dhg1986110 2014-01-15 2014-02-06 18:45:44 by gengle
[Gaussian] [已完结]请教关于gaussian计算结果中热化学问题 (3/904) huilaoshu999 2014-02-05 2014-02-06 17:39:22 by gengle
[Gaussian] [已完结]新手求助Gaussian计算求取正负电荷中心坐标的问题 (3/789) suwumeng 2013-11-30 2014-02-02 07:35:17 by suwumeng
[Turbomo ] [已完结]ORCA并行错误 (8/2317) ikea1984 2012-05-13 2014-01-30 04:58:01 by bluesxn
[量化新手 ] [已完结]怎么操作Ni晶胞中一半的原子替换成别的金属,替换那些位置上的 (0/428) fanhongxiang 2014-01-23 2014-01-29 08:52:00 by fanhongxiang
[其他] [已完结]求通过分子式模拟紫外吸收波长的软件 (3/844) yupeipei 2014-01-26 2014-01-28 15:14:58 by qchem
[Gaussian] [已完结]关于两个分子间电子转移的计算 (6/3296) vallen 2014-01-21 2014-01-26 07:52:15 by TSB520
[Gaussian] [已完结]请教用gaussian做ECD,其中td=(nstates=60,root=60),TD中这两个值怎么定? (2/452) 茯苓当归心 2014-01-24 2014-01-26 07:48:42 by TSB520
[Gaussian] [已完结]高斯中频率计算输出的能量 (1/1816) B612 2014-01-25 2014-01-25 22:22:44 by 绍敏郡主
[Gaussian] [已完结]关于计算中心 (0/358) limengru 2014-01-25 2014-01-25 16:28:47 by limengru
[Gaussian] [已完结]激发态电荷转移计算入手方法    ( 1 2 ) (12/4172) 026li 2013-07-05 2014-01-25 06:40:58 by huangda
[Gaussian] [已完结]哪位高手知道怎么得到下面的频率计算文件? (3/915) zhangyujin 2014-01-24 2014-01-24 21:19:20 by zhangyujin
[Gaussian] [已完结]如何加速激发态频率计算 (4/1152) xinghe99 2014-01-20 2014-01-24 09:09:59 by xinghe99
[Gaussian] [已完结]请教高手fchk文件用gv打开报错,请问如何修改 (3/676) 茯苓当归心 2014-01-23 2014-01-24 07:57:08 by 枪下游魂
[Gaussian] [已完结]求助高斯03及 for win7系统 (2/462) tsljs 2014-01-23 2014-01-23 16:18:54 by caiyf1912
[Gaussian] [已完结]Gauss View出现103错误 (3/1346) 幻寂星辰 2014-01-22 2014-01-23 15:24:01 by wangsihang
[Gaussian] [已完结]Gauss View出现101错误应怎样解决? (5/1995) 幻寂星辰 2014-01-21 2014-01-23 11:00:46 by lishijunzong
[Gaussian] [已完结]cube generate failed, (9/1777) wangjianru 2014-01-02 2014-01-23 03:44:25 by sobereva
[其他] [已完结]求scigress (2/519) superliky 2014-01-20 2014-01-21 14:40:28 by pigrass
[量化新手 ] [已完结]詢問關於HOMO,LUMO和MO (4/848) pokai1894 2014-01-20 2014-01-21 12:07:36 by pokai1894
[Gaussian] [已完结]急求各位帮忙解决 (5/869) fanqibing789 2014-01-17 2014-01-21 07:37:34 by 枪下游魂
[Gaussian] [已完结]Gauss View优化分子的基组选择问题 (2/2376) 幻寂星辰 2014-01-20 2014-01-20 10:00:00 by 枪下游魂
[Gaussian] [已完结]正常转换的fchk文件缺失电子信息,求教哪里的问题? (6/941) dongch04 2014-01-17 2014-01-20 01:09:44 by dongch04
[Gaussian] [已完结]用高斯斯做反应时用开壳层还是闭壳层 (2/986) lujunyan1118 2014-01-16 2014-01-19 14:53:09 by yongleli
[其他] [已完结]分子体积的计算,急!!! (2/1141) 410182245 2014-01-19 2014-01-19 11:06:06 by 410182245
[ADF/Dal ] [已完结][关贴]准备学习ADF,不知从何下手 (1/661) xj20120828 2014-01-18 2014-01-18 22:02:49 by xj20120828
[Gaussian] [已完结]电离势降低,HOMO—LUMO Gap降低,物质的稳定性就会降低? (1/585) abing_1981 2014-01-18 2014-01-18 11:21:09 by 绍敏郡主
[Gaussian] [已完结]gaussian如何让两个分子逐渐靠近 (4/1799) 29050801 2014-01-17 2014-01-18 08:25:14 by 29050801
[Gaussian] [已完结]几何优化 (2/418) yoyo103108 2014-01-17 2014-01-17 17:03:23 by 黄金比例
[Gaussian] [已完结]高斯计算中的原子分层问题    ( 1 2 ) (13/2592) sujialing 2014-01-14 2014-01-17 14:26:51 by sujialing
[Gaussian] [已完结]第一次分析复杂体系势能面。求计算ee值的数据。 (0/590) zzu7788321 2014-01-17 2014-01-17 14:05:13 by zzu7788321
[其他] [已完结]求帮忙下载orca (5/1108) Jasminer 2014-01-16 2014-01-17 11:24:05 by 29050801
[其他] [已完结]质子亲和能 (0/1239) ddwy 2014-01-17 2014-01-17 11:17:31 by ddwy
[Gaussian] [已完结]求助:帮忙看看这个审稿意见是什么意思? (0/390) cug_zhang 2014-01-17 2014-01-17 10:40:31 by cug_zhang
[Gaussian] [已完结]优化后再单独计算频率所得fchk文件中的Hessian矩阵不正确? (2/962) cindy816s 2012-04-05 2014-01-17 06:37:52 by superrice
[Molpro/ ] [已完结]请问,要计算两个态之间的跃迁偶极矩的话,输入怎么写?给个例子参看以下可否? (4/1671) 长风_破浪 2014-01-13 2014-01-17 01:20:43 by beefly
[Gaussian] [已完结]IRC 扫描的问题 各位师兄师姐帮帮忙呀 (8/1614) Cry_S_tal 2014-01-16 2014-01-16 21:36:30 by Cry_S_tal
[Gaussian] [已完结][关贴]计算过渡态时反应物生成物电荷的设置 (1/704) hero骐 2014-01-10 2014-01-16 16:28:08 by fatpig8832
[其他] [已完结]decoupled HOMO/LUMO orbitals是怎么一回事 (0/344) 快速过柱 2014-01-16 2014-01-16 14:27:34 by 快速过柱
[Gaussian] [已完结]casscf正常结束是不是一定是对的 (6/1439) 太妃糖么么 2014-01-07 2014-01-15 22:55:20 by 太妃糖么么
[Gaussian] [已完结]关于B3LYP 优化结构的问题 纠结。。。。 (1/675) Cry_S_tal 2014-01-15 2014-01-15 19:10:48 by daoyi163
[量化新手 ] [已完结]求助信息素分子与空气中的氧气、二氧化碳是否反应,这个怎么计算,用什么方法? (4/652) lj900911 2013-12-23 2014-01-15 16:27:25 by lj900911
[Gaussian] [已完结]热力学计算中分子对称数的计算 (1/1250) 枫叶-王 2013-10-19 2014-01-15 12:37:17 by 无敌二货
[Gaussian] [已完结]求助一道题:若采用“b3lyp/6-31g*”理论水平计算O2、N2的键能,主要步骤有哪些? (6/1251) stillocr 2014-01-09 2014-01-15 06:57:48 by yongleli
[Gaussian] [已完结]请问 gaussian 怎么看 一个反应是否是自由基反应。 (7/2815) chuchu6816 2011-09-23 2014-01-14 14:14:22 by WEIDAN
[量化新手 ] [已完结]求助大家,算分子轨道时为什么没有显示Cu的部分轨道如3p轨道? (4/1411) lengyuye10 2014-01-13 2014-01-14 09:29:04 by lengyuye10
[Gaussian] [已完结]关于溶剂化效应指定溶剂的介电常数 (2/1388) 夜水晶 2014-01-12 2014-01-14 02:18:35 by cg陈
[Gaussian] [已完结]BSSE校正 (1/501) 李晓绒 2014-01-13 2014-01-13 19:10:35 by 枪下游魂
[Gaussian] [已完结]高斯 (9/1230) 李晓绒 2014-01-06 2014-01-13 17:23:34 by 李晓绒
[Gaussian] [已完结]单点能出错 (4/797) weilikang 2014-01-13 2014-01-13 16:55:41 by 枪下游魂
[ChemOff ] [已完结]Chem3D ultra画图,图中原子标号问题 (6/3532) xiaoke8811 2011-05-21 2014-01-13 13:07:01 by ycy0621
[Gaussian] [已完结]我算的C60碳谱不是单峰,该怎么办    ( 1 2 ) (13/2444) xiaoyang1010 2013-12-23 2014-01-12 23:38:59 by xiaoyang1010
[Gaussian] [已完结][关贴]求GaussView 5.0.9 for linux (8/3691) 黄金比例 2014-01-10 2014-01-12 19:19:39 by 独唱团
[NBO/AIM] [已完结]NBO没有分片段输出结果分片段了 (0/408) 残剑无痕 2014-01-12 2014-01-12 16:28:23 by 残剑无痕
[量化图形 ] [已完结]ubuntu 13.04 下 安装 gv-412-Linux的问题求助    ( 1 2 3 ) (27/2954) BZ11234 2013-10-08 2014-01-12 16:00:10 by 黄金比例
[Gaussian] [已完结]计算能垒 (5/1634) limengru 2014-01-10 2014-01-12 15:04:32 by cg陈
[其他] [已完结][关贴]解决了送小红花 (2/533) 小双423 2014-01-11 2014-01-11 21:09:36 by 小双423
[其他] [已完结][关贴]全电子波函数 (0/336) 小双423 2014-01-11 2014-01-11 20:44:55 by 小双423
[量化新手 ] [已完结]请教几个理论方面的问题 (8/1447) 德布罗意F 2014-01-10 2014-01-11 16:12:38 by 德布罗意F
[量化新手 ] [已完结]Atomic number 58 not in LASL set.---这个问题怎么解决? (6/1308) 羊倌 2014-01-10 2014-01-11 14:55:52 by 卡开发发
[Gaussian] [已完结]vibrational frequencies 如何计算 (3/741) B612 2014-01-09 2014-01-11 14:29:50 by B612
[Gaussian] [已完结]如何判断体系中rydberg, charge transfer, valence三个激发态? (1/328) xiaoma541 2014-01-10 2014-01-11 06:56:58 by sobereva
[Turbomo ] [已完结]求助trubomole下计算溶剂化效应(20金币哦) (2/1100) ccxcyh 2014-01-09 2014-01-10 14:52:43 by shenhai1315
[Gaussian] [已完结][关贴]急求! (3/544) 浅曳伊言 2014-01-09 2014-01-10 08:49:16 by 浅曳伊言
[Gaussian] [已完结]频率分析为何算得很慢啊? (3/891) fzliyang 2014-01-09 2014-01-09 21:27:15 by fzliyang
[Gaussian] [已完结]关于途中的轨道成分是如何算得的呢? (7/1574) yaochuang 2014-01-08 2014-01-09 19:42:31 by yaochuang
[其他] [已完结]试给出氢原子平动能级,并从中得到温度依赖的平动配分函数。 求结果,和计算过程。 (0/1190) 315568099 2014-01-09 2014-01-09 16:39:52 by 315568099
[其他] [已完结]交换相关函数各项的意义是什么?以B3LYP为例? (1/1398) kobe6777 2014-01-08 2014-01-09 12:29:35 by cg陈
[其他] [已完结]求助关于拟合函数 (1/377) sandy_ran 2014-01-08 2014-01-09 09:54:23 by 枪下游魂
[Gaussian] [已完结]如何做scan? (1/1898) dashuaigema 2014-01-09 2014-01-09 08:30:16 by 枪下游魂
[Multiwfn] [已完结]multiwfn绘制的ESP等值面图里静电势的默认单位是什么? (8/4557) klaus1987 2014-01-07 2014-01-08 22:54:40 by jerry007
[Gaussian] [已完结]怎么算溴负一价离子的GB值 (1/628) justinqq 2014-01-08 2014-01-08 21:17:21 by justinqq
[Gaussian] [已完结]优化含Cu,Ag,Au的分子用什么方法比较好 (3/714) 残剑无痕 2014-01-07 2014-01-08 19:19:49 by 残剑无痕
[Gaussian] [已完结]Rh离子的自旋多重度 (1/575) 黄金比例 2014-01-08 2014-01-08 17:58:09 by gmy1990
[Gaussian] [已完结]怎么用gaussview5.0.9打开g03算的chk文件 (9/3034) qishiyy 2012-02-26 2014-01-08 17:55:24 by 552477885
[量化新手 ] [已完结][关贴]求助Hg的质量分馏原理 (1/645) 飞天8611 2014-01-08 2014-01-08 12:52:18 by 飞天8611
[Gaussian] [已完结]新手自学请教两个gaussian的问题,谢谢大家帮忙 (2/775) lengyuye10 2014-01-07 2014-01-08 09:03:23 by lzt870614
[Gaussian] [已完结]如何用量化方法判断一个分子的手性 (4/1113) 茯苓当归心 2014-01-07 2014-01-07 19:08:51 by sobereva
[NBO/AIM] [已完结]乙烷分子轨道分析 (5/2301) liziyu2012 2014-01-06 2014-01-07 18:46:43 by sobereva
[Gaussian] [已完结]自定义溶剂的溶剂化能量计算如何输入 (3/1233) cg陈 2014-01-07 2014-01-07 17:59:49 by cg陈
[Gaussian] [已完结][关贴]【急】g09中的 NBO 3.1版本是哪一年发布的呢? (2/499) suosuosky 2014-01-07 2014-01-07 13:13:53 by suosuosky
[Gaussian] [已完结]优化时b3lyp和mp2方法比较 (2/1280) 残剑无痕 2014-01-07 2014-01-07 10:53:37 by 残剑无痕
[量化图形 ] [已完结]请教个弱弱的问题 (2/476) hoc2h2 2014-01-07 2014-01-07 10:26:19 by chqt
[文章故事] [已完结]“the statistical weight of atoms with the stable d5 configurations”什么意思? (3/757) shmily505 2012-08-07 2014-01-07 08:08:05 by lishijunzong
[Gaussian] [已完结]gussian 命令输入 (4/1400) zcy760323 2013-11-24 2014-01-06 21:45:27 by 836449366
[Gaussian] [已完结][关贴]若想相当精确的优化出过渡态键长键角,选用什么方法和基组比较合理呢? (0/346) schalke 2014-01-06 2014-01-06 15:17:36 by schalke
[Gaussian] [已完结]PCM计算报错: Using the following non-standard input for PCM    ( 1 2 ) (12/1952) wangjb401 2014-01-04 2014-01-06 14:33:01 by wangjb401
[NBO/AIM] [已完结]看了好几天了,还是没明白成键类型的判断。 (1/2766) xllifan 2014-01-06 2014-01-06 11:08:34 by superrice
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